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Implement AlchemicalMolecule class #20
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I assume here we need it to be both the topology & coordinates? How about How about:
|
What does this add beyond |
I think this isn't required since the Mapping got beefed up a little. I think |
Moving to done as a "not going to do" -- we no longer see this as necessary. |
Holds 2x
Molecule
and 1xAtomMapping
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